2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane

C9H17NO — CID 90941039

IUPAC2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane
SMILESCC.CC1=CNC(C)CC1=O
InChIInChI=1S/C7H11NO.C2H6/c1-5-4-8-6(2)3-7(5)9;1-2/h4,6,8H,3H2,1-2H3;1-2H3
InChIKeyCGUFCVWBPZCYIA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds

About 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane

2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane (PubChem CID 90941039) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane.

Molecular Properties

Compound Name2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane
PubChem CID90941039
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane
SMILESCC.CC1=CNC(C)CC1=O
InChIInChI=1S/C7H11NO.C2H6/c1-5-4-8-6(2)3-7(5)9;1-2/h4,6,8H,3H2,1-2H3;1-2H3
InChIKeyCGUFCVWBPZCYIA-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane?
The IUPAC name of 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane (CID 90941039) is 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane.
What is the SMILES notation for 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane?
The canonical SMILES for 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane is CC.CC1=CNC(C)CC1=O.
What is the InChIKey of 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane?
The InChIKey is CGUFCVWBPZCYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-5-4-8-6(2)3-7(5)9;1-2/h4,6,8H,3H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane?
2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane has a molecular weight of 155.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane is sourced from PubChem (CID 90941039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).